CID 170901178

1220893-41-3

Structural Information

Molecular Formula
C12H28N4
SMILES
CC(C)CC(=NCCNCCNCCN)C
InChI
InChI=1S/C12H28N4/c1-11(2)10-12(3)16-9-8-15-7-6-14-5-4-13/h11,14-15H,4-10,13H2,1-3H3
InChIKey
SGCRWYMPOUZFTH-UHFFFAOYSA-N
Compound name
N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

228.2314 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.238676 160.8
[M+Na]+ 251.220618 162.3
[M-H]- 227.224124 160.8
[M+NH4]+ 246.265223 177.9
[M+K]+ 267.194558 161.5
[M+H-H2O]+ 211.228660 153.1
[M+HCOO]- 273.229601 185.6
[M+CH3COO]- 287.245251 207.3
[M+Na-2H]- 249.206066 162.4
[M]+ 228.23085142 159.8
[M]- 228.23194858 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.